Anaerobilin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Anaerobilin stable oxygenation prediction

Anaerobilin unstable oxygenation prediction

Anaerobilin dehydrogenation prediction

Anaerobilin reduction prediction

Anaerobilin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=CC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(CC)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C gsh prediction

C=CC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(CC)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C protein prediction

C=CC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(CC)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C cyanide prediction

C=CC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(CC)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C dna prediction

Generation 2

dna · 0.08

*CCC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(CC)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|